From Slater to Mott physics: epitaxial engineering of electronic correlations in oxide interfaces

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Abstract

Using spin-assisted ab-initio random structure searches, we explore an exhaustive quantum phase diagram of archetypal interfaced Mott insulators, i.e. lanthanum-iron and lanthanum-titanium oxides. In particular, we report that the charge transfer in- duced by the interfacial electronic reconstruction stabilises a high spin ferrous Fe2+ state. We provide a pathway to control the strength of correlation in this electronic state by tuning the epitaxial strain, yielding a manifold of quantum electronic phases, i.e. Mott-Hubbard, charge transfer and Slater insulating states. Furthermore we report that the electronic correlations are closely related to the structural oxygen oc- tahedral rotations, whose control is able to stabilise the low spin state of Fe2+ at low pressure previously observed only under the extreme high pressure conditions in the Earth’s lower mantle. Thus we provide avenues for magnetic switching via THz radi- ations which have crucial implications for next generation of spintronics technologies.
Original languageEnglish
JournalNature Computational Materials
Publication statusAccepted/In press - 7 May 2021

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